Schlessinger Lab
Developing and applying computational tools to annotate protein function and advance drug discovery.
Structural Bioinformatics
We predict protein structure and function as well as the functional effect of disease-related mutations using machine learning
Membrane Transporters
We study the structure and function of Solute Carrier (SLC) transporters and develop novel strategies to characterize their function
Computer-Aided Drug Design
We rationally design tool compounds for clinically relevant drug targets including enzymes, ion channels, and receptors
Structural Bioinformatics and Systems Pharmacology
Probing the structural and genetic basis of disease.
Bayrak et al (2021). Identification of discriminative gene-level and protein-level features associated with pathogenic gain-of-function and loss-of-function variants. AHJG, 108(12), 2301-2318. R
Rahman and Zatorski et al. PNAS. 2021 May 11;118(19):e2014866118. doi: 10.1073/pnas.2014866118.
Rational Drug Design for Membrane Transporters
Combining state-of-the-art computational and experimental methods to develop novel chemical tools for Solute Carrier (SLC) transporters.
Garibsingh et al. Rational design of ASCT2 inhibitors using an integrated experimental-computational approach. PNAS. 2021 Sep 14;118(37):e2104093118. doi: 10.1073/pnas.2104093118.
Computer-Aided Drug Design
Advancing the development of small molecule tool compounds for enzymes such as kinases by employing machine-learning approaches.
Ung PMU, Rahman R, Schlessinger A (2018) Redefining the protein kinase conformational space with machine learning. Cell Chem Biol 25 (7):916-924. e2.
Ung PMU, Sonoshita M, Scopton AP, Dar AC, Cagan RL, Schlessinger A (2019) Integrated computational and Drosophila cancer model platform captures previously unappreciated chemicals perturbing a kinase network. PLoS Comput Biol 15 (4): e1006878.
Recent publications
Exploring the conformational diversity of proteins.
Schlessinger A, Bonomi M.
Elife. 2022 Apr 21;11:e78549. doi: 10.7554/eLife.78549.
Describing Inhibitor Specificity for the Amino Acid Transporter LAT1 from Metainference Simulations
Hutchinson K, Buitrago Silva D, Bohlke J, Clausen C, Thomas AA, Bonomi M, and Schlessinger. A. doi: https://doi.org/10.1101/2022.05.03.490502
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GitHub
